| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:20 UTC |
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| Update Date | 2025-03-25 00:58:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231748 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | CC1(c2ccccc2)OCC(C(=O)O)O1 |
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| InChI Key | QMRUSMXXMJEGAU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | ketals |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | monocyclic benzene moietymeta-dioxolanecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesketalhydrocarbon derivativebenzenoidorganoheterocyclic compound |
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